UCSF

ZINC31519772

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 33 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) 6.79 11.25 -52.95 1 3 -1 60 455.703 1
Lo Low (pH 4.5-6) 6.79 10.13 -7.33 2 3 0 58 456.711 1

Activity (Go SEA)

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