UCSF

ZINC31476290

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 25 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) -4.27 -2.35 -163.58 5 14 -2 224 377.206 4
Mid Mid (pH 6-8) -3.86 -4.46 -216.83 4 14 -3 227 376.198 4
Mid Mid (pH 6-8) -4.27 -2.92 -168.94 5 14 -2 224 377.206 4
Mid Mid (pH 6-8) -4.27 -3.51 -73.1 6 14 -1 221 378.214 4

Activity (Go SEA)

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