UCSF

ZINC09409173

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 36 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) 6.31 11.6 -13.93 2 6 0 78 481.596 7
Mid Mid (pH 6-8) 6.31 12.37 -54.04 1 6 -1 81 480.588 7

Activity (Go SEA)

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