UCSF

ZINC20126877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.53 4.62 -38.16 2 4 1 38 279.404 7
Hi High (pH 8-9.5) 2.53 3.59 -4.75 1 4 0 34 278.396 7
Mid Mid (pH 6-8) 2.53 7.04 -112.67 3 4 2 40 280.412 7
Mid Mid (pH 6-8) 2.53 5.99 -35.57 2 4 1 35 279.404 7

Activity (Go SEA)

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