UCSF

ZINC19634536

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 16 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) 2.91 7.34 -29.97 1 2 1 8 286.237 6
Hi High (pH 8-9.5) 2.91 4.86 -2.38 0 2 0 6 285.229 6
Mid Mid (pH 6-8) 2.91 7.59 -33.93 1 2 1 8 286.237 6
Lo Low (pH 4.5-6) 2.91 9.59 -101.65 2 2 2 9 287.245 6

Activity (Go SEA)

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