UCSF

ZINC22595852

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) 3.34 7.57 -14.67 2 3 0 45 300.308 4
Mid Mid (pH 6-8) 3.41 6.26 -43.94 3 3 1 50 301.316 4

Activity (Go SEA)

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