UCSF

ZINC05180389

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 31 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) 5.76 15.01 -49.81 1 4 1 44 416.472 4
Mid Mid (pH 6-8) 5.76 12.13 -10.12 0 4 0 43 415.464 4

Activity (Go SEA)

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