UCSF

ZINC34557119

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 38 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) 8.39 19.28 -47.65 2 9 1 105 534.766 22
Mid Mid (pH 6-8) 8.39 16.93 -10.48 1 9 0 104 533.758 22

Activity (Go SEA)

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