UCSF

ZINC16741403

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 6.27 -16.63 2 6 0 87 407.466 9
Mid Mid (pH 6-8) 2.58 6.92 -24.97 1 6 0 84 407.466 9

Activity (Go SEA)

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