UCSF

ZINC19781922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 22 Yes

Other Names:

MFCD02040734

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) 3.64 10.06 -41.53 1 2 1 8 299.413 4
Mid Mid (pH 6-8) 3.64 10.13 -39.79 1 2 1 8 299.413 4
Mid Mid (pH 6-8) 3.64 7.75 -3.81 0 2 0 6 298.405 4

Activity (Go SEA)

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