UCSF

ZINC04060763

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 37 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) 6.76 1.87 -11.2 0 6 0 74 503.639 10
Mid Mid (pH 6-8) 6.94 1.03 -11.66 0 6 0 74 503.639 10
Mid Mid (pH 6-8) 6.76 2.13 -14.25 0 6 0 74 503.639 10

Activity (Go SEA)

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