UCSF

ZINC59702796

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 9 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) -0.58 -0.8 -38.78 3 3 1 46 134.199 5
Hi High (pH 8-9.5) -0.58 -1.1 -2.59 2 3 0 44 133.191 5

Activity (Go SEA)

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