UCSF

ZINC35017660

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) -1.91 1.79 -21.18 2 12 0 149 502.503 5
Mid Mid (pH 6-8) -1.91 3.21 -55.54 1 12 -1 151 501.495 5
Lo Low (pH 4.5-6) -1.91 3.53 -47.29 3 12 1 150 503.511 5

Activity (Go SEA)

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