UCSF

ZINC34376126

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 33 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) 1.59 1.95 -50.01 6 9 1 137 461.583 9
Mid Mid (pH 6-8) 1.59 -0.2 -14.53 5 9 0 136 460.575 9

Activity (Go SEA)

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