UCSF

ZINC09362785

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 32 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) 4.86 10.84 -65.12 1 6 -1 98 426.448 5
Mid Mid (pH 6-8) 4.28 0.77 -71.72 0 6 -1 94 426.448 5

Activity (Go SEA)

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