UCSF

ZINC03650760

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 26 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) 1.04 -0.89 -46.11 3 8 -1 123 349.326 3
Mid Mid (pH 6-8) 1.22 -3.3 -108.99 2 8 -2 129 348.318 3
Mid Mid (pH 6-8) 0.85 1.47 -12.76 4 8 0 116 350.334 3

Activity (Go SEA)

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