UCSF

ZINC19360085

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 21 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) 2.39 7.79 -40.6 1 5 1 43 293.387 7
Hi High (pH 8-9.5) 2.39 5.33 -10.23 0 5 0 42 292.379 7
Mid Mid (pH 6-8) 2.39 7.65 -41.02 1 5 1 43 293.387 7

Activity (Go SEA)

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