UCSF

ZINC42966567

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 41 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) 7.01 7.85 -45.75 3 4 -1 84 593.669 9
Mid Mid (pH 6-8) 7.01 7.34 -9.63 4 4 0 81 594.677 9

Activity (Go SEA)

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