UCSF

ZINC34349796

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 11 Yes

CAS Number: 180683-45-8

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) -0.06 1.25 -44.46 4 2 1 48 152.217 1
Hi High (pH 8-9.5) -0.06 0.93 -3.74 3 2 0 46 151.209 1

Activity (Go SEA)

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