UCSF

ZINC20389778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 34 No

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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) 2.82 11.5 -78.29 1 7 0 87 457.53 9
Hi High (pH 8-9.5) 2.82 8.97 -59.97 0 7 -1 86 456.522 9
Lo Low (pH 4.5-6) 2.82 10.68 -59.27 2 7 1 84 458.538 9

Activity (Go SEA)

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