UCSF

ZINC34691881

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.61 7.9 -15.34 0 6 0 45 455.574 8
Mid Mid (pH 6-8) 2.61 10.17 -54.48 1 6 1 46 456.582 8
Lo Low (pH 4.5-6) 2.61 12.44 -113.63 2 6 2 48 457.59 8

Activity (Go SEA)

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