UCSF

ZINC44725062

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 2.38 11 -37.66 1 5 1 51 347.442 2
Mid Mid (pH 6-8) 2.38 10.61 -14.19 0 5 0 49 346.434 2

Activity (Go SEA)

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