UCSF

ZINC34819320

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 16 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) -2.61 -0.69 -22.25 4 8 0 123 225.208 3
Mid Mid (pH 6-8) -3.29 -0.67 -57.34 3 8 -1 123 224.2 3

Activity (Go SEA)

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