UCSF

ZINC32113367

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) -0.48 4.24 -55.93 0 6 -1 83 263.273 7
Lo Low (pH 4.5-6) -0.48 4.68 -75.86 1 6 0 84 264.281 7

Activity (Go SEA)

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