UCSF

ZINC40019067

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 35 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) 6.84 16.07 -73.13 1 5 0 65 517.497 13
Lo Low (pH 4.5-6) 6.84 15.3 -53.7 2 5 1 62 518.505 13

Activity (Go SEA)

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