UCSF

ZINC42816191

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 25 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) 1.11 0.48 -12.82 2 8 0 91 346.387 5
Hi High (pH 8-9.5) 1.29 -2.17 -43.69 1 8 -1 97 345.379 5
Mid Mid (pH 6-8) 1.11 2.7 -55.02 3 8 1 92 347.395 5

Activity (Go SEA)

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