UCSF

ZINC45628670

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.69 6.61 -35.96 2 2 1 20 235.395 3
Hi High (pH 8-9.5) 2.69 8.91 -29.53 2 2 1 16 235.395 3
Mid Mid (pH 6-8) 2.69 8.97 -101.58 3 2 2 21 236.403 3

Activity (Go SEA)

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