UCSF

ZINC14982491

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 18 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) 3.44 8.54 -7.69 1 2 0 29 256.736 3
Lo Low (pH 4.5-6) 3.44 8.81 -35.8 2 2 1 30 257.744 3

Activity (Go SEA)

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