UCSF

ZINC32106696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 Yes

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Annotations

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) -0.73 -0.13 -48.67 3 5 1 62 252.338 6
Hi High (pH 8-9.5) -0.73 -1.63 -7.16 2 5 0 58 251.33 6
Lo Low (pH 4.5-6) -0.73 0.7 -40.36 3 5 1 59 252.338 6
Lo Low (pH 4.5-6) -0.73 1.08 -88.13 4 5 2 60 253.346 6

Activity (Go SEA)

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