UCSF

ZINC16741317

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 30 No

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) 3.78 8.55 -13.26 1 6 0 76 405.45 9
Mid Mid (pH 6-8) 3.20 9.26 -18.84 0 6 0 73 405.45 9

Activity (Go SEA)

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