UCSF

ZINC40096497

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 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) 1.42 3.98 -63.08 1 7 -1 99 398.366 5
Lo Low (pH 4.5-6) 1.42 3.23 -18.83 2 7 0 96 399.374 5

Activity (Go SEA)

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