UCSF

ZINC06246577

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 19 No

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) 1.26 4.08 -46.71 3 4 1 58 259.329 5
Lo Low (pH 4.5-6) 1.26 4.35 -101.88 4 4 2 59 260.337 5

Activity (Go SEA)

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