UCSF

ZINC19933725

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 0.76 3.7 -108.9 4 4 2 45 265.401 6
Mid Mid (pH 6-8) 0.76 3.71 -95.21 4 4 2 45 265.401 6
Mid Mid (pH 6-8) 0.76 1.32 -45.92 3 4 1 43 264.393 6

Activity (Go SEA)

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