UCSF

ZINC34976095

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 3.67 7.29 -28.31 3 3 1 45 250.753 2
Mid Mid (pH 6-8) 3.67 7.17 -6.04 2 3 0 44 249.745 2

Activity (Go SEA)

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