UCSF

ZINC31160995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 24 No

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Annotations

Vendors

    None

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) 1.71 -1.78 -18.28 5 9 0 154 336.252 5
Hi High (pH 8-9.5) 1.71 0.04 -103.54 3 9 -2 159 334.236 5
Hi High (pH 8-9.5) 1.71 0 -101.6 3 9 -2 159 334.236 5
Mid Mid (pH 6-8) 1.71 -0.9 -54.14 4 9 -1 157 335.244 5

Activity (Go SEA)

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