UCSF

ZINC15848202

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2008 18 No

Other Names:

MFCD02176201

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) 1.29 3.07 -48.11 2 5 -1 85 245.258 3
Lo Low (pH 4.5-6) 1.29 1.68 -25.57 3 5 0 82 246.266 3

Activity (Go SEA)

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