UCSF

ZINC34686097

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 37 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) 1.11 6.66 -20.07 0 9 0 81 519.545 7
Lo Low (pH 4.5-6) 1.11 8.88 -60.7 1 9 1 82 520.553 7

Activity (Go SEA)

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