UCSF

ZINC33737405

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 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) 4.70 11.48 -41.81 0 5 -1 67 445.495 5
Lo Low (pH 4.5-6) 4.24 13.23 -10.97 1 5 0 64 446.503 5

Activity (Go SEA)

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