UCSF

ZINC37856288

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.10 -0.31 -86 0 8 -2 130 331.306 4
Mid Mid (pH 6-8) 2.10 -1.1 -32.75 1 8 -1 127 332.314 4
Mid Mid (pH 6-8) 2.10 -0.36 -42.6 1 8 -1 128 332.314 4
Mid Mid (pH 6-8) 1.64 1.69 -17.14 2 8 0 125 333.322 4

Activity (Go SEA)

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