UCSF

ZINC42463393

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) -2.05 -0.43 -49.84 4 6 1 86 230.288 5
Hi High (pH 8-9.5) -1.87 -0.49 -60.38 3 6 0 93 229.28 5
Hi High (pH 8-9.5) -2.05 -0.81 -8.4 3 6 0 85 229.28 5

Activity (Go SEA)

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