UCSF

ZINC43218647

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 32 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) 0.64 8.71 -53.87 3 8 0 131 436.464 4
Hi High (pH 8-9.5) 0.64 7.47 -59.57 2 8 -1 127 435.456 4

Activity (Go SEA)

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