UCSF

ZINC31943646

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 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) 2.84 7.66 -18.39 2 3 0 44 302.23 4
Lo Low (pH 4.5-6) 2.84 8.06 -40.15 3 3 1 45 303.238 4

Activity (Go SEA)

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