UCSF

ZINC59739580

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 27 No

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Annotations

Vendors

    None

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) 7.36 15 -138.18 1 5 -2 92 375.509 16
Lo Low (pH 4.5-6) 7.36 12.95 -56.18 2 5 -1 89 376.517 16
Lo Low (pH 4.5-6) 7.36 13 -61.95 2 5 -1 89 376.517 16

Activity (Go SEA)

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