UCSF

ZINC37150233

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 4.25 9.14 -37.16 2 2 1 16 344.292 6
Mid Mid (pH 6-8) 4.26 8.11 -40.78 2 2 1 20 344.292 6

Activity (Go SEA)

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