UCSF

ZINC20925232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 21 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) 4.35 8.67 -4.86 1 2 0 21 287.378 8
Mid Mid (pH 6-8) 4.35 10.1 -45.93 2 2 1 26 288.386 8

Activity (Go SEA)

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