UCSF

ZINC42892309

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 1.73 -0.48 -14.42 4 5 0 98 260.245 3
Hi High (pH 8-9.5) 1.73 0.53 -54.1 3 5 -1 101 259.237 3
Hi High (pH 8-9.5) 1.73 0.45 -46.93 3 5 -1 101 259.237 3

Activity (Go SEA)

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