UCSF

ZINC36755591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 4.26 6.25 -7.95 1 3 0 46 313.22 2
Hi High (pH 8-9.5) 4.72 4.46 -48.6 0 3 -1 49 312.212 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.