UCSF

ZINC31921173

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.49 8.55 -8.69 0 3 0 30 292.169 2
Lo Low (pH 4.5-6) 3.49 8.99 -36.8 1 3 1 31 293.177 2

Activity (Go SEA)

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