UCSF

ZINC07915442

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2006 23 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) 3.56 8.6 -45.5 2 4 1 43 378.29 7
Mid Mid (pH 6-8) 3.56 6.35 -10.2 1 4 0 42 377.282 7

Activity (Go SEA)

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