UCSF

ZINC44143865

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 17 No

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 9.68 -51.18 0 2 -1 40 233.331 1
Lo Low (pH 4.5-6) 3.94 7.69 -4.84 1 2 0 37 234.339 1

Activity (Go SEA)

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