UCSF

ZINC13410883

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 24 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) 1.93 6.73 -11.82 0 7 0 105 323.308 4
Hi High (pH 8-9.5) 3.02 6.52 -43.04 0 7 -1 111 322.3 4
Lo Low (pH 4.5-6) 1.93 6 -43.62 1 7 1 106 324.316 4

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

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