UCSF

ZINC13775011

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 26 No

Other Names:

MFCD01956249

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) 1.76 1.9 -49.68 1 7 -1 104 355.301 3
Ref Reference (pH 7) 1.76 1.79 -50.97 1 7 -1 104 355.301 3
Hi High (pH 8-9.5) 1.76 2.83 -114.25 0 7 -2 107 354.293 3
Hi High (pH 8-9.5) 1.76 2.71 -112.02 0 7 -2 107 354.293 3
Lo Low (pH 4.5-6) 1.30 4.34 -14 2 7 0 101 356.309 3

Activity (Go SEA)

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