UCSF

ZINC33822349

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 19 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) 6.41 13.57 -44.24 0 2 -1 40 332.302 14
Lo Low (pH 4.5-6) 6.41 11.59 -6.18 1 2 0 37 333.31 14

Activity (Go SEA)

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