UCSF

ZINC13425388

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 No

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Annotations

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Vendors

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) 2.95 7.35 -27.21 2 7 0 108 452.551 5
Mid Mid (pH 6-8) 3.12 7.22 -24.18 2 7 0 108 452.551 5
Mid Mid (pH 6-8) 3.12 7.93 -31.3 2 7 0 108 452.551 5
Mid Mid (pH 6-8) 2.95 7.23 -26.89 2 7 0 108 452.551 5

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

No pre-computed analogs available. Try a structural similarity search.