UCSF

ZINC33575174

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 28 No

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Annotations

None

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) 3.10 7.26 -10.44 2 7 0 104 418.236 4
Hi High (pH 8-9.5) 3.75 2.16 -108.1 0 7 -2 114 416.22 4
Mid Mid (pH 6-8) 3.56 5.56 -40.22 1 7 -1 107 417.228 4

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