UCSF

ZINC33252168

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2009 31 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) 2.95 5.81 -13.25 0 7 0 68 421.497 6
Mid Mid (pH 6-8) 2.95 8.05 -48.89 1 7 1 69 422.505 6

Activity (Go SEA)

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