UCSF

ZINC34678978

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 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) 0.74 5.52 -18.24 2 9 0 109 432.484 7
Lo Low (pH 4.5-6) 0.74 5.98 -50.6 3 9 1 110 433.492 7

Activity (Go SEA)

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