UCSF

ZINC59407423

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 27 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) 5.45 13.99 -108.08 1 5 -2 100 376.493 15
Lo Low (pH 4.5-6) 5.45 11.98 -47.1 2 5 -1 98 377.501 15

Activity (Go SEA)

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