UCSF

ZINC19842438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 3.15 8.36 -33.61 1 2 1 8 263.38 3
Hi High (pH 8-9.5) 3.15 6.15 -3.53 0 2 0 6 262.372 3
Mid Mid (pH 6-8) 3.15 8.53 -31.97 1 2 1 8 263.38 3

Activity (Go SEA)

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