UCSF

ZINC15321055

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 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) 3.72 8.96 -12.87 1 8 0 112 483.542 7
Mid Mid (pH 6-8) 3.90 8.74 -12.5 1 8 0 112 483.542 7
Mid Mid (pH 6-8) 3.90 9.68 -13.17 1 8 0 112 483.542 7
Mid Mid (pH 6-8) 3.72 8.91 -13.5 1 8 0 112 483.542 7

Activity (Go SEA)

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