UCSF

ZINC06812979

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 27 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) 2.93 8.53 -39.27 0 5 -1 70 368.384 6
Mid Mid (pH 6-8) 2.34 8.82 -12.63 0 5 0 64 369.392 6
Mid Mid (pH 6-8) 3.37 7.37 -27.29 1 5 0 67 369.392 5

Activity (Go SEA)

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