UCSF

ZINC34859468

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 4.95 13.94 -63.37 2 6 1 65 526.682 11
Hi High (pH 8-9.5) 4.95 11.16 -12.35 1 6 0 64 525.674 11

Activity (Go SEA)

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