UCSF

ZINC19938608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 30 Yes

Other Names:

MFCD04146147

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) 3.98 9 -47.14 2 6 1 73 408.474 3
Mid Mid (pH 6-8) 3.98 9.79 -35.03 1 6 0 76 407.466 3

Activity (Go SEA)

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