UCSF

ZINC42796951

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 23 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) 2.27 8.02 -43.15 2 4 1 44 312.389 3
Hi High (pH 8-9.5) 2.27 7.05 -8.19 1 4 0 40 311.381 3

Activity (Go SEA)

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