UCSF

ZINC76945340

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 35 No

Popular Name: (1R,2R,4aR,6aR,6aR,6bS,8aS,9R,10R,11S,12aS,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-h (1R,2R,4aR,6aR,6aR,6bS,8aS,9R,10…

Find On: PubMed — Wikipedia — Google

CAS Number: 464-92-6

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.70 6.97 -59.1 3 5 -1 101 487.701 2 ↓
Lo Low (pH 4.5-6) 4.70 5.04 -10.79 4 5 0 98 488.709 2 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.