UCSF

ZINC02378738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 17 Yes

Other Names:

MFCD01320118

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) 2.88 8.88 -55.96 0 3 -1 57 237.25 7
Lo Low (pH 4.5-6) 2.88 6.91 -17.49 1 3 0 54 238.258 7

Activity (Go SEA)

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