UCSF

ZINC37050409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.04 8.67 -102.31 4 3 2 41 280.456 11
Hi High (pH 8-9.5) 4.04 6.15 -38.7 3 3 1 40 279.448 11

Activity (Go SEA)

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