UCSF

ZINC25059132

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 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) 2.27 10.33 -55.71 1 7 1 70 413.494 10
Mid Mid (pH 6-8) 2.27 7.6 -12.1 0 7 0 68 412.486 10
Mid Mid (pH 6-8) 2.27 8.03 -12.14 0 7 0 68 412.486 10

Activity (Go SEA)

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