UCSF

ZINC16734490

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 4.04 9.28 -14.42 1 7 0 85 463.53 13
Mid Mid (pH 6-8) 3.45 9.96 -21.74 0 7 0 82 463.53 13

Activity (Go SEA)

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