UCSF

ZINC37085479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.89 5.28 -9.59 1 4 0 51 278.377 5
Mid Mid (pH 6-8) 2.89 6.36 -37.36 2 4 1 56 279.385 5

Activity (Go SEA)

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