UCSF

ZINC42896801

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 1.62 3.59 -43.45 3 3 1 40 235.351 4
Hi High (pH 8-9.5) 1.62 3.26 -4.48 2 3 0 38 234.343 4
Mid Mid (pH 6-8) 1.62 5.44 -33.4 3 3 1 40 235.351 4

Activity (Go SEA)

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