UCSF

ZINC41676343

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.77 8.04 -74.34 3 4 2 43 252.406 7
Mid Mid (pH 6-8) 1.77 7.64 -39.76 2 4 1 42 251.398 7

Activity (Go SEA)

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