UCSF

ZINC03898794

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 20 No

Other Names:

MFCD00564687

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) 4.88 10 -8.65 1 3 0 41 279.368 3
Lo Low (pH 4.5-6) 3.96 10.13 -27.2 2 3 1 39 280.376 4
Lo Low (pH 4.5-6) 4.88 9.99 -8.84 1 3 0 41 279.368 3

Activity (Go SEA)

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