UCSF

ZINC20967919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) 4.96 10.07 -35.76 2 3 1 26 437.24 11
Mid Mid (pH 6-8) 4.96 11.5 -112.42 3 3 2 30 438.248 11
Mid Mid (pH 6-8) 4.96 9.27 -43.34 2 3 1 29 437.24 11

Activity (Go SEA)

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