UCSF

ZINC01248636

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 28 Yes

Other Names:

MFCD01949135

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) 3.33 5.6 -11.12 3 7 0 89 381.432 6
Mid Mid (pH 6-8) 2.96 3.71 -38.32 4 7 1 94 382.44 6

Activity (Go SEA)

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