UCSF

ZINC44174546

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 30 Yes

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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) 3.61 8.56 -14.71 1 6 0 66 430.549 5
Hi High (pH 8-9.5) 3.68 7.15 -49.77 0 6 -1 72 429.541 5
Mid Mid (pH 6-8) 3.61 10.7 -51.77 2 6 1 67 431.557 5

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