UCSF

ZINC12434832

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 25 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) 0.22 3.74 -41.85 3 8 1 102 349.411 9
Lo Low (pH 4.5-6) 0.22 4.01 -117.18 4 8 2 103 350.419 9

Activity (Go SEA)

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