UCSF

ZINC37978979

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 17 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) 2.27 7.12 -31.94 2 3 1 31 250.753 4
Hi High (pH 8-9.5) 2.27 6.66 -6.44 1 3 0 30 249.745 4
Mid Mid (pH 6-8) 2.27 7.75 -44.56 2 3 1 34 250.753 4
Mid Mid (pH 6-8) 2.27 8.22 -114.11 3 3 2 36 251.761 4

Activity (Go SEA)

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