UCSF

ZINC34492682

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 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) 1.12 5.92 -35.7 1 3 1 21 220.34 4
Hi High (pH 8-9.5) 1.12 5.23 -34.19 1 3 1 21 220.34 4
Hi High (pH 8-9.5) 1.12 3.45 -4.15 0 3 0 19 219.332 4
Lo Low (pH 4.5-6) 1.12 7.7 -106.8 2 3 2 22 221.348 4

Activity (Go SEA)

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