UCSF

ZINC12022958

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 34 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) 2.21 6.54 -59.6 2 9 1 106 490.602 8
Mid Mid (pH 6-8) 2.21 4 -22.9 1 9 0 105 489.594 8

Activity (Go SEA)

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