UCSF

ZINC41477822

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 3.26 10.46 -83.67 2 3 2 22 301.459 2
Mid Mid (pH 6-8) 3.26 8.22 -26.25 1 3 1 21 300.451 2
Mid Mid (pH 6-8) 3.26 10.08 -45.27 1 3 1 21 300.451 2

Activity (Go SEA)

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