UCSF

ZINC20761310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 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) 1.57 -1.63 -14.24 3 6 0 91 275.308 3
Ref Reference (pH 7) 1.38 1.05 -15.72 3 6 0 87 275.308 3

Activity (Go SEA)

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