UCSF

ZINC03356142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 5.34 15.43 -12.23 0 4 0 43 450.283 2
Mid Mid (pH 6-8) 5.34 16.43 -48.14 2 4 1 47 451.291 2
Lo Low (pH 4.5-6) 5.34 15.95 -33.59 1 4 1 44 451.291 2

Activity (Go SEA)

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