UCSF

ZINC33796118

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 28 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) 5.35 9.23 -9.67 0 4 0 33 494.163 5
Mid Mid (pH 6-8) 5.35 11.55 -40.95 1 4 1 34 495.171 5

Activity (Go SEA)

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