UCSF

ZINC36638856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 Yes

Other Names:

MFCD12968409

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) 3.88 6.56 -19.38 1 5 0 72 320.414 4
Hi High (pH 8-9.5) 3.70 6.09 -58.03 0 5 -1 70 319.406 5

Activity (Go SEA)

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

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