UCSF

ZINC54793474

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 15 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) -0.53 0.41 -45.93 3 5 1 76 230.313 3
Hi High (pH 8-9.5) -0.53 -0.07 -15.5 2 5 0 75 229.305 3
Mid Mid (pH 6-8) -0.53 1.12 -66.29 3 5 1 79 230.313 3
Lo Low (pH 4.5-6) -0.53 1.58 -129.04 4 5 2 81 231.321 3

Activity (Go SEA)

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

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