UCSF

ZINC20496307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 19 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) 1.12 6.32 -13.53 0 4 0 46 275.739 4
Lo Low (pH 4.5-6) 1.12 6.75 -46.58 1 4 1 47 276.747 4

Activity (Go SEA)

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