UCSF

ZINC19871723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 17 Yes

Other Names:

MFCD05740102

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) 2.00 5.18 -41.43 1 6 -1 74 297.136 5
Mid Mid (pH 6-8) 2.00 5.3 -10.92 2 6 0 76 298.144 5

Activity (Go SEA)

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