UCSF

ZINC34551809

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 3.74 9.21 -37.17 2 2 1 25 280.391 3
Hi High (pH 8-9.5) 3.74 6.74 -5.29 1 2 0 23 279.383 3

Activity (Go SEA)

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