UCSF

ZINC40176961

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 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) 2.42 3.94 -19.47 2 8 0 117 409.489 5
Hi High (pH 8-9.5) 1.94 2.58 -115.38 0 8 -2 126 407.473 5
Mid Mid (pH 6-8) 2.42 4.95 -57.85 1 8 -1 119 408.481 5

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