UCSF

ZINC08996154

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 26 No

Other Names:

MFCD01243031

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) 2.93 4.39 -9.82 3 6 0 97 344.374 3
Ref Reference (pH 7) 2.93 3.78 -9.27 3 6 0 97 344.374 3
Lo Low (pH 4.5-6) 2.93 4.67 -56.35 4 6 1 99 345.382 3

Activity (Go SEA)

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