UCSF

ZINC22924230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 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) 1.50 7.17 -44.96 1 7 1 69 370.408 5
Mid Mid (pH 6-8) 1.50 7.15 -49.22 1 7 1 69 370.408 5
Mid Mid (pH 6-8) 1.50 4.8 -9.49 0 7 0 67 369.4 5

Activity (Go SEA)

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