UCSF

ZINC65535046

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Other Names:

MFCD01044683

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) 2.31 7.63 -46.99 3 5 1 66 323.42 6
Hi High (pH 8-9.5) 2.31 7.25 -10.15 2 5 0 64 322.412 6
Lo Low (pH 4.5-6) 2.31 8.19 -95.91 4 5 2 67 324.428 6

Activity (Go SEA)

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

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