UCSF

ZINC02054774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 27 Yes

Other Names:

MFCD00586722

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) 7.02 0.52 -6.71 1 3 0 46 387.589 7
Hi High (pH 8-9.5) 7.02 1 -39.1 0 3 -1 48 386.581 7

Activity (Go SEA)

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