UCSF

ZINC35517339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 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) 5.41 10.31 -52.97 1 7 -1 108 433.465 6
Mid Mid (pH 6-8) 5.67 11.06 -96.84 0 7 -2 107 432.457 7
Mid Mid (pH 6-8) 5.87 8.33 -102.41 0 7 -2 111 432.457 6
Lo Low (pH 4.5-6) 5.67 10.5 -98.71 0 7 -2 107 432.457 7

Activity (Go SEA)

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