UCSF

ZINC42907749

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 1.98 6.83 -110.6 4 2 2 32 220.36 3
Hi High (pH 8-9.5) 1.98 4.57 -40.65 3 2 1 31 219.352 3
Mid Mid (pH 6-8) 1.98 6.52 -30.77 3 2 1 30 219.352 3

Activity (Go SEA)

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