UCSF

ZINC13570299

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 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) 5.59 11.9 -52.77 0 5 -1 73 463.535 5
Mid Mid (pH 6-8) 6.03 11.98 -19.29 1 5 0 71 464.543 4
Mid Mid (pH 6-8) 5.00 12.15 -11.24 0 5 0 67 464.543 5

Activity (Go SEA)

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