UCSF

ZINC16741402

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) 3.17 6.72 -14.08 2 6 0 87 407.466 9
Mid Mid (pH 6-8) 2.58 7.39 -21.24 1 6 0 84 407.466 9

Activity (Go SEA)

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