UCSF

ZINC20467568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 22 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) 2.24 1.15 -10.8 3 7 0 104 388.243 5
Hi High (pH 8-9.5) 2.24 1.19 -38.37 2 7 -1 106 387.235 5

Activity (Go SEA)

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