UCSF

ZINC12956558

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 13 No

Other Names:

MFCD08234829

N/A

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) 1.65 6.35 -44.68 0 3 -1 57 177.179 4
Lo Low (pH 4.5-6) 1.65 4.38 -10.15 1 3 0 54 178.187 4

Activity (Go SEA)

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