UCSF

ZINC20128431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.28 6.94 -91.81 3 4 2 34 293.455 7
Mid Mid (pH 6-8) 2.28 6.81 -112.94 3 4 2 34 293.455 7
Mid Mid (pH 6-8) 2.28 4.48 -43.86 2 4 1 32 292.447 7

Activity (Go SEA)

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