UCSF

ZINC37040872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.15 1.17 -53.77 3 7 -1 129 299.328 7
Hi High (pH 8-9.5) 0.15 1.24 -98.38 2 7 -2 131 298.32 7

Activity (Go SEA)

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