UCSF

ZINC04813388

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 28 No

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Annotations

Vendors

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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) 1.21 -2.8 -15.7 1 8 0 96 385.399 8
Mid Mid (pH 6-8) 1.21 -1.81 -54.77 2 8 1 98 386.407 8

Activity (Go SEA)

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