UCSF

ZINC09065105

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 26 No

Other Names:

MFCD02950137

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) 2.35 4.2 -10.84 3 7 0 106 354.41 6
Lo Low (pH 4.5-6) 2.35 4.48 -57.29 4 7 1 108 355.418 6

Activity (Go SEA)

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