UCSF

ZINC44239568

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 0.17 5.17 -112.89 4 5 2 62 245.367 5
Hi High (pH 8-9.5) 0.17 4.79 -38.97 3 5 1 60 244.359 5
Mid Mid (pH 6-8) 0.17 3.36 -48.91 3 5 1 60 244.359 5

Activity (Go SEA)

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