UCSF

ZINC36125195

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 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) 1.18 6.94 -51.47 1 6 1 48 393.474 6
Mid Mid (pH 6-8) 1.18 8.98 -120.08 2 6 2 49 394.482 6
Mid Mid (pH 6-8) 1.18 6.5 -49.58 1 6 1 48 393.474 6

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

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