UCSF

ZINC36951029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 12 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) -0.74 -0.61 -39.76 3 4 1 55 178.252 8
Hi High (pH 8-9.5) -0.74 -2.05 -6.45 2 4 0 51 177.244 8

Activity (Go SEA)

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