UCSF

ZINC19803233

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 18 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) 3.23 6.4 -111.2 4 2 2 32 289.25 3
Mid Mid (pH 6-8) 3.23 4.2 -40.93 3 2 1 31 288.242 3

Activity (Go SEA)

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