UCSF

ZINC36190303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) -0.15 2.89 -99.96 3 6 2 62 292.449 3
Hi High (pH 8-9.5) -0.15 -0.45 -7.61 1 6 0 56 290.433 3
Mid Mid (pH 6-8) -0.15 0.75 -47.19 2 6 1 60 291.441 3

Activity (Go SEA)

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