UCSF

ZINC59090749

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 18 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) 4.88 10.69 -115.58 3 2 2 21 258.494 12
Hi High (pH 8-9.5) 4.88 10.3 -31.01 2 2 1 16 257.486 12
Mid Mid (pH 6-8) 4.88 8.58 -38.74 2 2 1 20 257.486 12

Activity (Go SEA)

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