UCSF

ZINC34681104

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 2.25 8.87 -15.85 1 7 0 75 374.485 5
Mid Mid (pH 6-8) 2.25 9.24 -46.25 2 7 1 76 375.493 5

Activity (Go SEA)

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