UCSF

ZINC37318577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 1.75 6.87 -37.56 2 5 1 46 296.435 5
Mid Mid (pH 6-8) 1.75 5.69 -47.38 2 5 1 49 296.435 5
Lo Low (pH 4.5-6) 1.75 7.89 -114.7 3 5 2 51 297.443 5

Activity (Go SEA)

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