UCSF

ZINC43969311

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 3.31 6.89 -38.48 2 3 1 29 279.448 9
Hi High (pH 8-9.5) 3.31 5.65 -2.46 1 3 0 24 278.44 9
Mid Mid (pH 6-8) 3.31 7.83 -30.26 2 3 1 26 279.448 9

Activity (Go SEA)

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