UCSF

ZINC49305503

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 23 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) 1.21 1.16 -50.51 3 5 1 67 316.377 0
Hi High (pH 8-9.5) 1.21 -0.67 -12.74 2 5 0 65 315.369 0

Activity (Go SEA)

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