UCSF

ZINC35697875

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 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) 1.93 6.88 -16.3 1 5 0 56 320.395 3
Mid Mid (pH 6-8) 2.39 5.57 -44.01 0 5 -1 59 319.387 3

Activity (Go SEA)

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