UCSF

ZINC14980057

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 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) 3.43 13.94 -51.92 1 6 1 55 446.619 8
Lo Low (pH 4.5-6) 3.43 14.23 -97.65 2 6 2 57 447.627 8

Activity (Go SEA)

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