UCSF

ZINC34670670

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 29 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) 3.90 10.68 -8.56 0 4 0 33 398.522 7
Lo Low (pH 4.5-6) 3.90 12.64 -41.53 1 4 1 34 399.53 7

Activity (Go SEA)

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