UCSF

ZINC20043234

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 19 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) 0.18 6 -84.67 3 5 2 41 272.437 6
Hi High (pH 8-9.5) 0.18 3.72 -38.7 2 5 1 40 271.429 6
Mid Mid (pH 6-8) 0.18 7.29 -169.14 4 5 3 46 273.445 6

Activity (Go SEA)

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