UCSF

ZINC36858104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.11 5.62 -6.38 0 4 0 28 314.227 3
Mid Mid (pH 6-8) 2.11 7.97 -41.9 1 4 1 30 315.235 3

Activity (Go SEA)

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