UCSF

ZINC09409192

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 34 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) 3.97 6.39 -17.73 3 8 0 108 465.55 11
Mid Mid (pH 6-8) 3.97 7.16 -57.38 2 8 -1 111 464.542 11

Activity (Go SEA)

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