UCSF

ZINC65361829

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 23 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) 4.24 3 -39.7 1 5 -1 82 342.322 2
Lo Low (pH 4.5-6) 3.78 4.42 -7.12 2 5 0 79 343.33 2

Activity (Go SEA)

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