UCSF

ZINC44687383

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 3.27 8.33 -39.42 2 2 1 20 287.471 6
Hi High (pH 8-9.5) 3.27 7.25 -1.74 1 2 0 15 286.463 6
Mid Mid (pH 6-8) 3.27 9.67 -33 2 2 1 16 287.471 6

Activity (Go SEA)

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