UCSF

ZINC20521373

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) -1.00 -0.45 -50.63 4 6 1 83 255.342 3
Mid Mid (pH 6-8) -1.00 0.32 -39.9 4 6 1 80 255.342 3
Lo Low (pH 4.5-6) -1.00 1.73 -115.26 5 6 2 84 256.35 3

Activity (Go SEA)

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