UCSF

ZINC02390476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 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) 5.57 12.15 -19.33 3 6 0 86 447.558 8
Mid Mid (pH 6-8) 5.57 12.55 -33.2 4 6 1 87 448.566 8

Activity (Go SEA)

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