UCSF

ZINC12032197

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 21 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) 3.94 9.38 -18.2 0 3 0 33 314.797 1
Lo Low (pH 4.5-6) 3.94 9.79 -29.55 1 3 1 34 315.805 1

Activity (Go SEA)

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