UCSF

ZINC31320036

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 18 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) 1.77 7.81 -8.42 0 3 0 25 300.474 2
Lo Low (pH 4.5-6) 1.77 7.11 -37.93 1 3 1 26 301.482 2

Activity (Go SEA)

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