UCSF

ZINC35517910

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 5.03 9.72 -15.81 1 7 0 104 391.408 4
Mid Mid (pH 6-8) 5.29 10.41 -42.87 0 7 -1 103 390.4 5
Mid Mid (pH 6-8) 5.48 7.78 -54.62 0 7 -1 107 390.4 4

Activity (Go SEA)

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