UCSF

ZINC43896308

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 12 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) 2.23 6.06 -105.89 3 2 2 21 174.332 6
Hi High (pH 8-9.5) 2.23 2.86 -0.53 1 2 0 15 172.316 6
Mid Mid (pH 6-8) 2.23 4.97 -27.47 2 2 1 16 173.324 6
Mid Mid (pH 6-8) 2.23 4.55 -31.98 2 2 1 20 173.324 6

Activity (Go SEA)

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