UCSF

ZINC17994458

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 15 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) 3.20 5.02 -7.68 1 2 0 33 197.237 2
Lo Low (pH 4.5-6) 3.20 4.65 -33.92 2 2 1 34 198.245 2
Lo Low (pH 4.5-6) 3.20 5.36 -30.44 2 2 1 34 198.245 2
Lo Low (pH 4.5-6) 3.20 4.75 -32.06 2 2 1 34 198.245 2

Activity (Go SEA)

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