UCSF

ZINC34538311

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 3.29 5.5 -7.54 1 3 0 47 194.23 3
Hi High (pH 8-9.5) 3.29 6.5 -51.24 0 3 -1 49 193.222 3

Activity (Go SEA)

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