UCSF

ZINC36779626

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) 2.09 4.02 -51.62 4 4 1 74 309.386 6
Hi High (pH 8-9.5) 2.09 3.71 -12.9 3 4 0 72 308.378 6

Activity (Go SEA)

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