UCSF

ZINC44124884

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 11 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) 1.76 3.22 -2.36 2 2 0 29 170.643 2
Mid Mid (pH 6-8) 1.76 3.11 -30.47 3 2 1 31 171.651 2
Lo Low (pH 4.5-6) 1.76 4.83 -33.84 3 2 1 30 171.651 2

Activity (Go SEA)

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