UCSF

ZINC39766615

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 No

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) 4.61 10.59 -24.97 1 6 0 75 460.603 7
Lo Low (pH 4.5-6) 4.61 12.88 -50.93 2 6 1 76 461.611 7

Activity (Go SEA)

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