UCSF

ZINC45047559

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 15 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) 3.75 6.15 -5.53 1 2 0 25 208.28 2
Lo Low (pH 4.5-6) 3.75 6.64 -25.92 2 2 1 26 209.288 2

Activity (Go SEA)

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