UCSF

ZINC12485217

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 28 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) 2.08 -2.35 -17.06 3 9 0 137 420.472 8
Hi High (pH 8-9.5) 2.08 -2.28 -44.86 2 9 -1 139 419.464 8

Activity (Go SEA)

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