UCSF

ZINC49512473

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 27 No

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Annotations

None

Vendors

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) 1.45 5.83 -52.63 3 7 1 79 388.879 6
Hi High (pH 8-9.5) 1.63 2.76 -47.24 1 7 -1 84 386.863 6
Mid Mid (pH 6-8) 1.45 3.62 -9.04 2 7 0 78 387.871 6

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