UCSF

ZINC01413470

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 34 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) 5.69 13.99 -50.93 1 5 -1 76 490.366 6
Mid Mid (pH 6-8) 6.13 12.31 -27.75 2 5 0 73 491.374 5
Mid Mid (pH 6-8) 5.11 13.28 -21.91 1 5 0 70 491.374 6

Activity (Go SEA)

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