UCSF

ZINC44836271

Substance Information

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

Other Names:

MFCD18173546

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) 4.96 5.41 -5.64 2 3 0 41 356.647 4
Hi High (pH 8-9.5) 4.96 6.17 -37.87 1 3 -1 44 355.639 4

Activity (Go SEA)

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