UCSF

ZINC35738379

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 13 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) -1.42 1.53 -95.68 5 4 2 65 187.287 3
Hi High (pH 8-9.5) -1.42 0.17 -47.11 4 4 1 60 186.279 3

Activity (Go SEA)

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