UCSF

ZINC42462143

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.15 3.86 -10.4 2 3 0 38 264.394 3
Lo Low (pH 4.5-6) 2.15 5.37 -31.49 3 3 1 40 265.402 3

Activity (Go SEA)

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