UCSF

ZINC20780813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 23 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) 2.51 6.58 -54.36 3 4 1 49 318.485 6
Mid Mid (pH 6-8) 2.51 7.32 -35.8 3 4 1 46 318.485 6
Lo Low (pH 4.5-6) 2.51 8.6 -119.26 4 4 2 50 319.493 6

Activity (Go SEA)

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