UCSF

ZINC03344497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 4.46 6.54 -53.46 1 6 -1 87 451.858 6
Mid Mid (pH 6-8) 4.46 6.11 -15.19 2 6 0 85 452.866 6

Activity (Go SEA)

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