UCSF

ZINC33920070

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 31 No

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Annotations

Vendors

    None

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) 1.25 11.16 -46.54 2 7 0 103 422.481 8
Mid Mid (pH 6-8) 1.25 10.1 -50.03 1 7 -1 99 421.473 8

Activity (Go SEA)

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