UCSF

ZINC41680473

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 0.96 4.83 -81.42 3 3 2 24 215.385 5
Hi High (pH 8-9.5) 0.96 5.89 -85.53 3 3 2 21 215.385 5
Hi High (pH 8-9.5) 0.96 3.64 -33.69 2 3 1 20 214.377 5

Activity (Go SEA)

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