UCSF

ZINC41498221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 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) 2.04 10.02 -46.68 2 6 1 63 342.467 7
Lo Low (pH 4.5-6) 2.04 10.41 -77.91 3 6 2 64 343.475 7

Activity (Go SEA)

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