UCSF

ZINC41535445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 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) 2.01 9.95 -72.41 2 9 0 126 426.473 7
Lo Low (pH 4.5-6) 2.01 9.2 -59.21 3 9 1 124 427.481 7

Activity (Go SEA)

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