UCSF

ZINC00610451

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 Yes

Other Names:

MFCD04357408

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) 2.75 7.44 -48.44 1 5 -1 86 332.401 8
Lo Low (pH 4.5-6) 2.75 5.47 -13.76 2 5 0 83 333.409 8

Activity (Go SEA)

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