UCSF

ZINC22585982

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 22 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) 2.74 9.83 -38.29 1 3 1 31 292.406 4
Mid Mid (pH 6-8) 2.74 9.63 -34.42 1 3 1 31 292.406 4
Mid Mid (pH 6-8) 2.74 7.45 -6.53 0 3 0 30 291.398 4

Activity (Go SEA)

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