UCSF

ZINC37818262

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -1.11 -0.94 -50.53 4 7 1 95 285.349 1
Hi High (pH 8-9.5) -0.93 -4.67 -45.94 2 7 -1 97 283.333 1
Mid Mid (pH 6-8) -1.11 -2.02 -15.65 3 7 0 91 284.341 1

Activity (Go SEA)

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