UCSF

ZINC42518484

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.48 2.35 -28.12 2 3 1 26 187.307 4
Mid Mid (pH 6-8) 0.48 3.69 -96.97 3 3 2 30 188.315 4
Mid Mid (pH 6-8) 0.48 1.43 -39.62 2 3 1 29 187.307 4

Activity (Go SEA)

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