UCSF

ZINC36767588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 Yes

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) 3.21 5.07 -56.46 3 4 1 55 308.785 5
Hi High (pH 8-9.5) 3.21 4.75 -9.07 2 4 0 54 307.777 5

Activity (Go SEA)

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