UCSF

ZINC37319537

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) 2.59 9.45 -80.29 3 4 2 35 288.439 5
Mid Mid (pH 6-8) 2.59 9 -44.08 2 4 1 34 287.431 5
Lo Low (pH 4.5-6) 2.59 10.26 -129.06 3 4 2 38 288.439 5

Activity (Go SEA)

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