UCSF

ZINC45693249

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 3.83 8.57 -37.27 2 2 1 20 279.423 8
Mid Mid (pH 6-8) 3.83 9.56 -33.52 2 2 1 16 279.423 8
Lo Low (pH 4.5-6) 3.83 10.6 -117.97 3 2 2 21 280.431 8

Activity (Go SEA)

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