UCSF

ZINC41657267

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.87 7.88 -32.03 2 4 0 60 298.471 8
Mid Mid (pH 6-8) 1.87 9.98 -77.35 3 4 1 61 299.479 8

Activity (Go SEA)

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