UCSF

ZINC34950162

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 24 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) 1.16 3.61 -45.96 0 7 -1 97 365.412 5
Mid Mid (pH 6-8) 1.16 4.15 -104.34 0 7 -2 97 364.404 5
Mid Mid (pH 6-8) 1.16 4.07 -16.81 1 7 0 95 366.42 5

Activity (Go SEA)

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