UCSF

ZINC20128312

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 1.70 6.29 -85.54 3 4 2 34 279.428 7
Mid Mid (pH 6-8) 1.70 6.16 -104.88 3 4 2 34 279.428 7
Mid Mid (pH 6-8) 1.70 3.83 -38.62 2 4 1 32 278.42 7

Activity (Go SEA)

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