UCSF

ZINC13127772

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 28 Yes

Other Names:

MFCD02158073

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) 1.86 4.53 -57.15 2 8 -1 130 401.42 6
Lo Low (pH 4.5-6) 1.86 3.62 -16.48 3 8 0 127 402.428 6

Activity (Go SEA)

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