UCSF

ZINC19797091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 26 No

Other Names:

MFCD11054699

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) 3.96 13.75 -46.11 2 5 1 46 396.602 6
Hi High (pH 8-9.5) 3.96 11.27 -11.84 1 5 0 45 395.594 6

Activity (Go SEA)

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