UCSF

ZINC38807054

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 22 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) 1.49 2.81 -8.92 3 6 0 88 308.378 8
Mid Mid (pH 6-8) 1.49 3.4 -35 4 6 1 92 309.386 8

Activity (Go SEA)

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