UCSF

ZINC41543388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.14 9.12 -71.49 1 9 0 102 494.544 8
Lo Low (pH 4.5-6) 2.14 8.36 -52.04 2 9 1 99 495.552 8

Activity (Go SEA)

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