UCSF

ZINC44725334

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 21 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) 0.74 3.36 -99.3 5 5 2 78 311.451 6
Hi High (pH 8-9.5) 0.74 0.98 -51.72 4 5 1 77 310.443 6

Activity (Go SEA)

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