UCSF

ZINC37839463

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.13 5.3 -18.46 0 5 0 50 268.357 4
Hi High (pH 8-9.5) 0.87 4.16 -52.51 0 5 -1 56 267.349 3
Mid Mid (pH 6-8) 0.13 7.3 -54.12 1 5 1 51 269.365 4

Activity (Go SEA)

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