UCSF

ZINC12402829

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 37 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) 5.89 1.26 -10.16 0 8 0 111 502.567 7
Mid Mid (pH 6-8) 6.07 1.4 -10.69 0 8 0 111 502.567 7
Mid Mid (pH 6-8) 6.07 2.49 -12.38 0 8 0 111 502.567 7
Mid Mid (pH 6-8) 5.89 1.28 -12.69 0 8 0 111 502.567 7

Activity (Go SEA)

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