UCSF

ZINC36873747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 Yes

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) 1.77 7.05 -49.87 4 3 1 56 258.389 5
Hi High (pH 8-9.5) 1.77 6.7 -7.24 3 3 0 55 257.381 5
Hi High (pH 8-9.5) 1.77 7.1 -27.7 4 3 1 56 258.389 5
Mid Mid (pH 6-8) 1.77 7.38 -114.85 5 3 2 58 259.397 5

Activity (Go SEA)

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