UCSF

ZINC70515814

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.38 5.3 -32.88 3 4 1 55 276.404 6
Hi High (pH 8-9.5) 2.38 4.34 -8.65 2 4 0 50 275.396 6
Mid Mid (pH 6-8) 2.38 5.79 -81.53 4 4 2 56 277.412 6

Activity (Go SEA)

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