UCSF

ZINC04954304

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 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) 2.75 -0.31 -49.25 3 6 1 82 395.479 6
Mid Mid (pH 6-8) 3.20 -0.63 -57.91 3 6 1 82 395.479 5
Mid Mid (pH 6-8) 2.17 -0.45 -59.2 2 6 1 79 395.479 6

Activity (Go SEA)

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