UCSF

ZINC20181675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 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) 0.50 3.05 -53.8 3 4 1 51 302.32 4
Lo Low (pH 4.5-6) 0.50 5.32 -134.06 4 4 2 52 303.328 4

Activity (Go SEA)

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