UCSF

ZINC14638941

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 35 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) 4.99 12.72 -13.22 1 6 0 53 485.657 8
Lo Low (pH 4.5-6) 4.99 15.39 -78.4 3 6 2 56 487.673 8

Activity (Go SEA)

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