UCSF

ZINC05361060

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 27 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) 1.67 9.41 -20.5 0 9 0 97 376.344 6
Mid Mid (pH 6-8) 1.67 9.9 -59.05 1 9 1 99 377.352 6

Activity (Go SEA)

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