UCSF

ZINC12308521

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 23 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) 2.93 7.33 -42.73 2 4 1 52 306.389 6
Lo Low (pH 4.5-6) 2.93 8.3 -188.04 4 4 3 54 308.405 6
Lo Low (pH 4.5-6) 2.93 7.6 -112.85 3 4 2 53 307.397 6
Lo Low (pH 4.5-6) 2.93 8.03 -98 3 4 2 53 307.397 6

Activity (Go SEA)

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