UCSF

ZINC48627972

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 No

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Annotations

Vendors

    None

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 4.73 -7.69 1 4 0 51 271.316 4
Hi High (pH 8-9.5) 3.88 4.31 -41.18 0 4 -1 54 270.308 4
Hi High (pH 8-9.5) 3.88 5.51 -48.12 0 4 -1 54 270.308 4
Lo Low (pH 4.5-6) 3.88 3.96 -35.46 2 4 1 53 272.324 4
Lo Low (pH 4.5-6) 3.88 5.25 -31.96 2 4 1 53 272.324 4

Activity (Go SEA)

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