UCSF

ZINC59963408

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 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) 8.13 17.43 -136.7 0 4 -2 80 366.542 18
Lo Low (pH 4.5-6) 8.13 15.29 -49.2 1 4 -1 77 367.55 18

Activity (Go SEA)

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