UCSF

ZINC38138702

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) 5.88 14.26 -68.85 0 5 -1 84 423.529 8
Lo Low (pH 4.5-6) 5.88 12.33 -15.14 1 5 0 81 424.537 8

Activity (Go SEA)

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