UCSF

ZINC19949536

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 No

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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) 3.74 9.36 -48.47 1 7 0 94 439.537 4
Hi High (pH 8-9.5) 3.74 7.16 -50.53 0 7 -1 93 438.529 4
Mid Mid (pH 6-8) 3.11 10.26 -46.08 2 7 1 88 440.545 5

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