UCSF

ZINC20210739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 26 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) 1.46 6.91 -46.27 2 6 1 63 354.478 6
Mid Mid (pH 6-8) 1.46 4.54 -11.44 1 6 0 61 353.47 6
Lo Low (pH 4.5-6) 1.46 7.29 -86.08 3 6 2 64 355.486 6

Activity (Go SEA)

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