UCSF

ZINC34440433

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 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) 4.26 14.08 -45.36 2 4 1 34 353.465 5
Mid Mid (pH 6-8) 4.26 11.62 -9.95 1 4 0 33 352.457 5

Activity (Go SEA)

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