UCSF

ZINC39917129

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 29 Yes

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Annotations

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) 3.97 11.97 -41.97 1 5 1 35 393.555 8
Mid Mid (pH 6-8) 3.97 9.62 -10.08 0 5 0 34 392.547 8
Mid Mid (pH 6-8) 3.97 12.41 -88.29 2 5 2 36 394.563 8
Mid Mid (pH 6-8) 3.97 11.84 -43.84 1 5 1 35 393.555 8

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