UCSF

ZINC15254721

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 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) 3.11 5.4 -9.87 1 4 0 42 310.825 4
Lo Low (pH 4.5-6) 3.11 7.26 -41.81 2 4 1 43 311.833 4

Activity (Go SEA)

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