UCSF

ZINC22452396

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 26 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) 3.53 8.37 -32.27 2 3 1 28 349.498 4
Mid Mid (pH 6-8) 3.53 6.78 -5.81 1 3 0 27 348.49 4
Mid Mid (pH 6-8) 3.53 8.67 -32.2 2 3 1 28 349.498 4

Activity (Go SEA)

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