UCSF

ZINC08766623

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 20 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) 1.84 0.63 -19.38 1 5 0 59 266.304 2
Mid Mid (pH 6-8) 1.84 0.84 -29.39 2 5 1 60 267.312 2

Activity (Go SEA)

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