UCSF

ZINC33788548

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 36 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) 2.82 7.9 -59.62 0 10 -1 125 486.46 5
Lo Low (pH 4.5-6) 2.36 10.56 -16.43 1 10 0 122 487.468 5

Activity (Go SEA)

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