UCSF

ZINC08846579

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 34 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) 5.58 -1.12 -13.81 1 5 0 71 458.602 9
Mid Mid (pH 6-8) 6.16 0.78 -38.84 3 5 1 76 459.61 8

Activity (Go SEA)

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