UCSF

ZINC05142022

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 28 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) 4.49 10.14 -18.36 0 5 0 55 393.443 5
Lo Low (pH 4.5-6) 4.49 10.43 -53.94 1 5 1 57 394.451 5

Activity (Go SEA)

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