UCSF

ZINC22027727

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 Yes

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) 3.16 8.86 -34.2 1 2 1 8 247.406 4
Hi High (pH 8-9.5) 3.16 7.28 -1.94 0 2 0 6 246.398 4
Lo Low (pH 4.5-6) 3.16 10.83 -108.94 2 2 2 9 248.414 4

Activity (Go SEA)

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