UCSF

ZINC43969146

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 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) 0.53 1.18 -31.5 2 4 1 38 217.333 5
Hi High (pH 8-9.5) 0.53 0.3 -2.15 1 4 0 34 216.325 5
Mid Mid (pH 6-8) 0.53 2.09 -30.97 2 4 1 35 217.333 5

Activity (Go SEA)

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