UCSF

ZINC59586609

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 0.79 1.03 -7.9 2 3 0 49 179.219 4
Hi High (pH 8-9.5) 0.79 1.8 -41.86 1 3 -1 52 178.211 4
Mid Mid (pH 6-8) 0.79 2.4 -44.64 3 3 1 54 180.227 4

Activity (Go SEA)

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