UCSF

ZINC23248698

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 24 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) 1.37 5.11 -51.55 2 7 1 80 351.452 5
Hi High (pH 8-9.5) 1.37 2.74 -12.31 1 7 0 79 350.444 5
Mid Mid (pH 6-8) 1.37 5.13 -57.66 2 7 1 80 351.452 5

Activity (Go SEA)

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