UCSF

ZINC00443214

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 Yes

Other Names:

MFCD01413587

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) 3.14 -3.08 -9.92 1 5 0 64 307.371 6
Hi High (pH 8-9.5) 3.14 -2.52 -45.48 0 5 -1 66 306.363 6

Activity (Go SEA)

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