UCSF

ZINC34557118

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 37 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) 7.84 18.38 -46.24 2 9 1 105 520.739 21
Mid Mid (pH 6-8) 7.84 16.16 -10.19 1 9 0 104 519.731 21

Activity (Go SEA)

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