UCSF

ZINC04972135

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 26 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) 2.90 7.62 -14.06 1 5 0 62 349.434 5
Lo Low (pH 4.5-6) 2.90 8.48 -33.44 2 5 1 63 350.442 5

Activity (Go SEA)

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