UCSF

ZINC39917580

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 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) 4.60 12.55 -46.43 1 5 1 35 428 9
Hi High (pH 8-9.5) 4.60 10.18 -12.16 0 5 0 34 426.992 9
Mid Mid (pH 6-8) 4.60 12.44 -50 1 5 1 35 428 9
Lo Low (pH 4.5-6) 4.60 12.85 -81.69 2 5 2 36 429.008 9

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