UCSF

ZINC55437074

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 26 No

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) 1.25 2.01 -27.04 1 8 0 91 382.486 6
Hi High (pH 8-9.5) 1.44 0.58 -64.54 0 8 -1 98 381.478 6

Activity (Go SEA)

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

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