UCSF

ZINC40113771

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 No

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Annotations

Vendors

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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) 5.30 13.09 -11.24 1 5 0 80 430.577 5
Hi High (pH 8-9.5) 5.49 11.58 -43.74 0 5 -1 86 429.569 5

Activity (Go SEA)

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