UCSF

ZINC42463670

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 No

Download: MOL2 SDF SMILES Flexibase

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) 0.81 3.05 -47.74 3 3 1 40 247.428 7
Hi High (pH 8-9.5) 0.81 2.71 -3.06 2 3 0 38 246.42 7
Mid Mid (pH 6-8) 0.81 5.57 -31.56 3 3 1 40 247.428 7

Activity (Go SEA)

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