UCSF

ZINC13541637

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) -4.33 2.4 -144.77 15 13 2 253 445.569 17
Mid Mid (pH 6-8) -4.33 2.13 -108.4 14 13 1 252 444.561 17
Mid Mid (pH 6-8) -4.50 0.9 -86.96 14 13 1 256 444.561 15

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