UCSF

ZINC43971678

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) 1.34 3.71 -35.13 2 4 1 38 257.398 5
Hi High (pH 8-9.5) 1.34 2.21 -2.43 1 4 0 34 256.39 5
Mid Mid (pH 6-8) 1.35 4.54 -30 2 4 1 35 257.398 5

Activity (Go SEA)

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