UCSF

ZINC01819343

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 24 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) 5.06 13.14 -10.47 0 4 0 43 377.662 2
Mid Mid (pH 6-8) 5.06 14.65 -49.35 2 4 1 47 378.67 2
Mid Mid (pH 6-8) 5.06 13.47 -38.29 1 4 1 45 378.67 2

Activity (Go SEA)

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