UCSF

ZINC42767172

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 1.05 2.81 -38.14 4 5 1 66 245.391 9
Hi High (pH 8-9.5) 1.05 0.89 -5.49 3 5 0 65 244.383 9
Mid Mid (pH 6-8) 1.05 3.48 -40.3 4 5 1 66 245.391 9
Mid Mid (pH 6-8) 1.05 5.05 -112.16 5 5 2 67 246.399 9

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