UCSF

ZINC41586827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

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Annotations

None

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) 6.36 11.89 -7.1 0 4 0 43 466.364 3
Lo Low (pH 4.5-6) 6.36 14.78 -49.9 1 4 1 44 467.372 3

Activity (Go SEA)

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