UCSF

ZINC08993231

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 31 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) 3.49 1.74 -60.55 1 6 1 66 415.469 4
Lo Low (pH 4.5-6) 3.49 1.85 -123.6 2 6 2 67 416.477 4

Activity (Go SEA)

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