UCSF

ZINC08916536

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 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) 7.55 0.42 -7.17 0 4 0 56 476.016 5
Mid Mid (pH 6-8) 7.73 0.65 -8.29 0 4 0 55 476.016 5
Mid Mid (pH 6-8) 7.73 1.64 -7.77 0 4 0 55 476.016 5
Mid Mid (pH 6-8) 7.55 0.54 -10.38 0 4 0 55 476.016 5

Activity (Go SEA)

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