UCSF

ZINC04170858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 No

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Annotations

None

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) 2.94 -1.9 -13.96 1 7 0 94 401.459 8
Mid Mid (pH 6-8) 2.94 -2.02 -16.58 1 7 0 94 401.459 8
Mid Mid (pH 6-8) 3.12 -3.06 -14.35 1 7 0 94 401.459 8

Activity (Go SEA)

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