UCSF

ZINC14995574

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 24 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) 2.95 12.05 -99.03 2 4 2 29 351.56 6
Hi High (pH 8-9.5) 2.95 7.73 -9.5 0 4 0 27 349.544 6

Activity (Go SEA)

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