UCSF

ZINC62039003

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 32 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) 4.86 6.92 -24.05 3 9 0 141 468.516 6
Hi High (pH 8-9.5) 5.32 6.45 -92.03 1 9 -2 147 466.5 6
Mid Mid (pH 6-8) 4.86 7.69 -45.65 2 9 -1 144 467.508 6

Activity (Go SEA)

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