UCSF

ZINC31992671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) -0.62 2.34 -64.17 3 4 1 65 209.2 1
Mid Mid (pH 6-8) -0.62 2.02 -9.12 2 4 0 63 208.192 1

Activity (Go SEA)

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