UCSF

ZINC19960059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.21 3.91 -39.05 3 4 1 49 279.404 7
Hi High (pH 8-9.5) 2.21 4.7 -34.98 2 4 0 52 278.396 7
Mid Mid (pH 6-8) 2.21 4.81 -33.69 3 4 1 46 279.404 7
Lo Low (pH 4.5-6) 2.21 6.27 -107.92 4 4 2 51 280.412 7

Activity (Go SEA)

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