UCSF

ZINC01514135

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 15 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) 1.73 2.4 -60.67 2 5 -1 75 217.233 0
Hi High (pH 8-9.5) 1.73 3.49 -95.61 1 5 -2 78 216.225 0

Activity (Go SEA)

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