UCSF

ZINC44270714

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.23 2.95 -51.48 2 4 0 65 296.314 6
Mid Mid (pH 6-8) 2.23 2.9 -49.34 3 4 1 63 297.322 6

Activity (Go SEA)

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