UCSF

ZINC34677952

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 28 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) 1.65 4.43 -43.81 2 7 1 76 381.456 7
Mid Mid (pH 6-8) 1.65 4.45 -44.52 2 7 1 76 381.456 7
Mid Mid (pH 6-8) 1.65 2.18 -9.01 1 7 0 75 380.448 7

Activity (Go SEA)

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