UCSF

ZINC13764502

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 30 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) 7.99 15.93 -8.32 1 2 0 29 451.367 4
Ref Reference (pH 7) 7.99 15.85 -8.37 1 2 0 29 451.367 4
Mid Mid (pH 6-8) 7.99 16.32 -32.84 2 2 1 30 452.375 4
Lo Low (pH 4.5-6) 7.99 16.38 -31.75 2 2 1 30 452.375 4

Activity (Go SEA)

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