UCSF

ZINC31978444

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 No

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Annotations

Vendors

    None

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) 3.20 8.28 -39.63 1 3 1 31 248.346 4
Hi High (pH 8-9.5) 3.20 5.8 -6.93 0 3 0 30 247.338 4

Activity (Go SEA)

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