UCSF

ZINC29414010

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 10 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.19 1.25 -44.29 4 3 1 56 140.21 3
Lo Low (pH 4.5-6) -0.19 1.65 -96.75 5 3 2 58 141.218 3

Activity (Go SEA)

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