UCSF

ZINC01025941

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 16 Yes

Other Names:

MFCD03863230

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) 3.43 9.78 -3.39 0 1 0 3 209.292 1
Mid Mid (pH 6-8) 3.57 8.95 -12.21 0 6 0 66 442.488 4

Activity (Go SEA)

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