UCSF

ZINC35733636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 18 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) 1.40 2.31 -55.56 4 4 1 74 269.39 6
Hi High (pH 8-9.5) 1.40 1.95 -9.44 3 4 0 72 268.382 6

Activity (Go SEA)

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