UCSF

ZINC19555364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 26 Yes

Other Names:

MFCD01909568

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) 2.74 7.94 -45.81 1 5 1 35 357.474 7
Mid Mid (pH 6-8) 2.74 7.88 -45.29 1 5 1 35 357.474 7
Mid Mid (pH 6-8) 2.74 5.56 -8.5 0 5 0 34 356.466 7

Activity (Go SEA)

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