UCSF

ZINC31978286

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 1.67 7.61 -20.91 1 5 0 68 253.261 2
Hi High (pH 8-9.5) 2.13 6.7 -56.76 0 5 -1 71 252.253 2

Activity (Go SEA)

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