UCSF

ZINC00826576

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 27 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) 4.28 2.11 -9.28 0 8 0 110 374.393 8
Mid Mid (pH 6-8) 4.28 1.94 -10.34 0 8 0 110 374.393 8
Mid Mid (pH 6-8) 4.46 0.82 -8.7 0 8 0 110 374.393 8

Activity (Go SEA)

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