UCSF

ZINC05154835

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 22 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) 5.24 8.36 -50.11 0 3 -1 49 307.398 4
Mid Mid (pH 6-8) 5.24 -1.51 -12.03 1 3 0 46 308.406 4

Activity (Go SEA)

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