UCSF

ZINC09529282

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 21 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) 1.87 -4.22 -13.3 2 5 0 67 325.821 6
Mid Mid (pH 6-8) 1.87 -3.97 -38.59 3 5 1 68 326.829 6

Activity (Go SEA)

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