UCSF

ZINC22589725

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 13 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) -2.12 -4.83 -102.52 6 5 2 82 194.275 9
Mid Mid (pH 6-8) -2.12 -7.03 -33.4 5 5 1 81 193.267 9

Activity (Go SEA)

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