UCSF

ZINC36267831

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 17 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) 1.88 3.7 -53.88 4 3 1 63 242.224 3
Hi High (pH 8-9.5) 1.88 3.38 -5.3 3 3 0 62 241.216 3

Activity (Go SEA)

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