UCSF

ZINC61299884

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 15 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) 2.96 7.01 -99.33 4 2 2 33 216.413 8
Hi High (pH 8-9.5) 2.96 5.65 -31.28 3 2 1 29 215.405 8

Activity (Go SEA)

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