UCSF

ZINC32111312

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 2.53 7.5 -39.97 1 4 -1 69 259.31 2
Hi High (pH 8-9.5) 3.25 7.06 -115.55 0 4 -2 66 258.302 2

Activity (Go SEA)

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