UCSF

ZINC41115705

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 23 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) 0.99 1.08 -56.08 1 7 -1 102 338.409 5
Lo Low (pH 4.5-6) 1.36 3.05 -14.09 2 7 0 96 339.417 4

Activity (Go SEA)

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