UCSF

ZINC19360151

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 27 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) 2.74 7.47 -43.54 1 6 1 45 371.457 6
Mid Mid (pH 6-8) 2.74 7.41 -43.42 1 6 1 45 371.457 6
Mid Mid (pH 6-8) 2.74 5.08 -9.73 0 6 0 43 370.449 6

Activity (Go SEA)

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