UCSF

ZINC25519410

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 17 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) 1.67 0.03 -39.38 1 5 -1 78 268.705 3
Lo Low (pH 4.5-6) 1.22 1.87 -8.06 2 5 0 75 269.713 3

Activity (Go SEA)

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