UCSF

ZINC42561768

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 0.76 4.5 -50.47 3 5 1 63 247.322 4
Hi High (pH 8-9.5) 0.76 3.24 -15.5 2 5 0 58 246.314 4
Mid Mid (pH 6-8) 0.76 4.94 -97.22 4 5 2 64 248.33 4
Mid Mid (pH 6-8) 0.76 3.69 -30 3 5 1 60 247.322 4

Activity (Go SEA)

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