UCSF

ZINC49793528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 41 No

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Annotations

Vendors

    None

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) -4.82 -9.4 -142.05 6 21 -2 317 628.333 10
Hi High (pH 8-9.5) -4.59 -11.99 -203.91 5 21 -3 320 627.325 10

Activity (Go SEA)

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