UCSF

ZINC35017746

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -0.98 0.71 -65.89 1 12 -1 144 515.522 5
Mid Mid (pH 6-8) -0.98 0.09 -20.16 2 12 0 141 516.53 5
Lo Low (pH 4.5-6) -0.98 4.15 -101.24 4 12 2 144 518.546 5

Activity (Go SEA)

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