UCSF

ZINC40126700

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 32 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) 4.27 8.39 -60.8 1 6 -1 88 428.464 7
Lo Low (pH 4.5-6) 4.27 7.62 -17.76 2 6 0 85 429.472 7

Activity (Go SEA)

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