UCSF

ZINC43395943

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.82 3.8 -108.68 5 5 2 74 252.362 6
Hi High (pH 8-9.5) 0.82 3.18 -13.02 3 5 0 71 250.346 6
Mid Mid (pH 6-8) 0.82 3.27 -63.19 4 5 1 73 251.354 6

Activity (Go SEA)

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