UCSF

ZINC39290540

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 No

Other Names:

MFCD03084284

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) 6.58 14.79 -55.57 0 3 -1 57 401.611 7
Lo Low (pH 4.5-6) 6.58 12.17 -8.18 1 3 0 54 402.619 7

Activity (Go SEA)

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