UCSF

ZINC38138640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 31 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) 5.51 12.08 -47.86 2 4 0 74 417.549 1
Mid Mid (pH 6-8) 5.51 11.67 -58.21 1 4 -1 73 416.541 1

Activity (Go SEA)

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