UCSF

ZINC40079034

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 36 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) 2.45 5.97 -65.93 1 9 -1 118 498.552 13
Lo Low (pH 4.5-6) 2.45 5.22 -20.29 2 9 0 115 499.56 13

Activity (Go SEA)

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