UCSF

ZINC44650274

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) -0.24 4.79 -94.6 3 4 2 41 213.325 3
Hi High (pH 8-9.5) -0.24 1.2 -7.08 1 4 0 36 211.309 3
Mid Mid (pH 6-8) -0.24 2.55 -40.47 2 4 1 40 212.317 3

Activity (Go SEA)

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