UCSF

ZINC19536111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 2.96 6.95 -42.51 1 6 1 45 371.457 6
Mid Mid (pH 6-8) 2.96 6.89 -43.83 1 6 1 45 371.457 6
Mid Mid (pH 6-8) 2.96 4.56 -8.76 0 6 0 43 370.449 6

Activity (Go SEA)

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