UCSF

ZINC08845538

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 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) 3.15 5.51 -17.65 3 8 0 108 451.523 9
Mid Mid (pH 6-8) 3.15 6.28 -57.5 2 8 -1 111 450.515 9

Activity (Go SEA)

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