UCSF

ZINC23478157

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2009 27 Yes

Other Names:

MFCD06249784

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) 2.91 5.28 -10.13 1 5 0 45 384.911 6
Mid Mid (pH 6-8) 2.91 7.6 -43.73 2 5 1 46 385.919 6
Lo Low (pH 4.5-6) 2.91 9.68 -91.49 3 5 2 47 386.927 6

Activity (Go SEA)

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