UCSF

ZINC44836281

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 Yes

Other Names:

MFCD18173549

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) 2.61 -0.13 -12.04 4 5 0 92 357.229 4
Hi High (pH 8-9.5) 2.61 0.62 -41.42 3 5 -1 95 356.221 4

Activity (Go SEA)

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