UCSF

ZINC34974604

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 No

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) 0.19 0.88 -5.37 1 5 0 72 184.195 2
Mid Mid (pH 6-8) 0.65 -1.68 -36.59 0 5 -1 75 183.187 2

Activity (Go SEA)

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