UCSF

ZINC12419218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 23 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) 1.52 -2.19 -15.36 3 6 0 86 329.381 4
Lo Low (pH 4.5-6) 1.52 5.2 -44.37 4 6 1 88 330.389 4

Activity (Go SEA)

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