UCSF

ZINC04712130

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 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) 2.76 10.17 -43.63 1 5 1 41 358.437 3
Mid Mid (pH 6-8) 2.76 7.79 -11.21 0 5 0 40 357.429 3

Activity (Go SEA)

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