UCSF

ZINC09529290

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 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) 4.53 -0.64 -13.07 1 5 0 64 402.903 8
Mid Mid (pH 6-8) 4.53 -0.39 -40.25 2 5 1 65 403.911 8

Activity (Go SEA)

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