UCSF

ZINC42779241

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 2.40 7.17 -40.07 2 4 1 41 280.436 7
Hi High (pH 8-9.5) 2.40 4.74 -6.39 1 4 0 40 279.428 7
Mid Mid (pH 6-8) 2.40 7.89 -84.48 3 4 2 42 281.444 7

Activity (Go SEA)

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