UCSF

ZINC34571317

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 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) 2.88 6.87 -54.43 3 6 1 77 416.567 5
Mid Mid (pH 6-8) 2.88 4.67 -12.7 2 6 0 76 415.559 5

Activity (Go SEA)

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