UCSF

ZINC19364198

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 3.43 7.38 -33.01 1 3 1 17 277.432 6
Hi High (pH 8-9.5) 3.43 5.53 -2.75 0 3 0 16 276.424 6
Mid Mid (pH 6-8) 3.43 7.91 -38.4 1 3 1 17 277.432 6

Activity (Go SEA)

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