UCSF

ZINC58414316

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 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) 3.17 10.23 -45.65 2 4 1 46 346.454 5
Mid Mid (pH 6-8) 3.17 7.95 -9.8 1 4 0 45 345.446 5

Activity (Go SEA)

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