UCSF

ZINC37979024

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 3.00 7.54 -108.99 3 3 2 30 272.82 6
Mid Mid (pH 6-8) 3.00 6.24 -29.86 2 3 1 26 271.812 6

Activity (Go SEA)

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