UCSF

ZINC42914387

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.17 5.04 -137.14 5 4 2 61 295.402 4
Hi High (pH 8-9.5) 1.17 4.72 -47.83 4 4 1 60 294.394 4
Mid Mid (pH 6-8) 1.17 3.56 -49.11 4 4 1 60 294.394 4

Activity (Go SEA)

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