UCSF

ZINC15368451

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2008 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) 2.62 10.81 -52.35 1 5 1 43 387.475 7
Mid Mid (pH 6-8) 2.62 8.74 -12.32 0 5 0 42 386.467 7

Activity (Go SEA)

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