UCSF

ZINC45665850

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.81 7.68 -111.7 4 3 2 35 293.499 10
Hi High (pH 8-9.5) 2.81 5.2 -46.57 3 3 1 34 292.491 10
Lo Low (pH 4.5-6) 2.81 9.3 -231.84 5 3 3 37 294.507 10

Activity (Go SEA)

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