UCSF

ZINC40098265

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 38 No

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Annotations

Vendors

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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) 5.98 12.34 -61.68 0 8 -1 101 520.602 13
Mid Mid (pH 6-8) 5.98 11.58 -14.47 1 8 0 98 521.61 13

Activity (Go SEA)

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