UCSF

ZINC34669213

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 3.52 10.65 -10.79 0 5 0 40 420.582 6
Lo Low (pH 4.5-6) 3.52 12.85 -53.16 1 5 1 41 421.59 6

Activity (Go SEA)

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