UCSF

ZINC70328095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 21 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) 0.02 -0.49 -15.03 4 7 0 102 285.307 4
Mid Mid (pH 6-8) 0.02 0.76 -53.38 5 7 1 107 286.315 4
Mid Mid (pH 6-8) 0.02 0.76 -53.49 5 7 1 107 286.315 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.