UCSF

ZINC42492906

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) -0.33 -0.45 -2.12 2 4 0 48 202.298 5
Mid Mid (pH 6-8) -0.33 0.09 -40.84 3 4 1 49 203.306 5
Mid Mid (pH 6-8) -0.33 1.73 -108.93 4 4 2 51 204.314 5

Activity (Go SEA)

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