UCSF

ZINC04416789

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 27 Yes

Other Names:

MFCD00019463

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) -0.32 10.26 -299.79 0 9 -4 178 382.365 12
Lo Low (pH 4.5-6) -0.32 8.28 -177.64 1 9 -3 175 383.373 12

Activity (Go SEA)

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