UCSF

ZINC20952300

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) 2.43 7.33 -37.57 2 4 1 37 302.442 5
Mid Mid (pH 6-8) 2.43 5.05 -8.02 1 4 0 36 301.434 5

Activity (Go SEA)

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