UCSF

ZINC37652159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 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) 2.53 7.93 -42.14 1 2 1 22 210.272 5
Mid Mid (pH 6-8) 2.53 5.68 -6.47 0 2 0 20 209.264 5

Activity (Go SEA)

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