UCSF

ZINC62038725

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 29 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) 4.06 5.5 -18.98 3 7 0 112 429.523 5
Hi High (pH 8-9.5) 4.06 6.27 -49.03 2 7 -1 115 428.515 5
Hi High (pH 8-9.5) 4.52 4.9 -95.65 1 7 -2 118 427.507 5

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