UCSF

ZINC40084517

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 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) 5.80 12.78 -55.42 0 5 -1 70 485.398 8
Lo Low (pH 4.5-6) 5.80 11.89 -11.18 1 5 0 67 486.406 8

Activity (Go SEA)

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