UCSF

ZINC36233099

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.43 4.9 -61.39 4 6 1 87 300.367 2
Mid Mid (pH 6-8) 1.43 3.22 -15.84 3 6 0 83 299.359 2
Lo Low (pH 4.5-6) 1.43 5.39 -96.07 5 6 2 89 301.375 2

Activity (Go SEA)

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