UCSF

ZINC19842248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 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) 2.96 8.36 -39.6 1 4 1 26 333.496 5
Hi High (pH 8-9.5) 2.96 6.13 -5.63 0 4 0 25 332.488 5
Mid Mid (pH 6-8) 2.96 8.52 -42.21 1 4 1 26 333.496 5

Activity (Go SEA)

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