UCSF

ZINC31992830

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) -0.35 1.99 -6.4 2 4 0 63 196.25 1
Mid Mid (pH 6-8) -0.35 2.3 -54.44 3 4 1 65 197.258 1

Activity (Go SEA)

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