UCSF

ZINC43979427

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 4.73 9.08 -101.88 3 2 2 21 258.494 8
Hi High (pH 8-9.5) 4.73 9.15 -30.74 2 2 1 20 257.486 8
Mid Mid (pH 6-8) 4.73 8.44 -27.79 2 2 1 16 257.486 8

Activity (Go SEA)

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