UCSF

ZINC19816426

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 33 Yes

Other Names:

MFCD01451679

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) 4.66 8.36 -10.79 2 6 0 72 458.587 4
Mid Mid (pH 6-8) 4.66 8.66 -33.02 3 6 1 73 459.595 4

Activity (Go SEA)

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