UCSF

ZINC59376805

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 20 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) 2.00 1.2 -45.57 5 4 1 77 272.324 2
Mid Mid (pH 6-8) 2.00 -0.07 -8.93 4 4 0 73 271.316 2

Activity (Go SEA)

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