UCSF

ZINC42814243

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 1.26 -1.57 -13.43 3 8 0 106 293.279 5
Hi High (pH 8-9.5) 1.44 -4.23 -46.2 2 8 -1 112 292.271 5

Activity (Go SEA)

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