UCSF

ZINC34552749

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) -0.86 -2.36 -9.22 3 6 0 87 199.21 2
Mid Mid (pH 6-8) -0.67 -5 -40.02 2 6 -1 94 198.202 2

Activity (Go SEA)

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