UCSF

ZINC24100991

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 29 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) 1.51 0.77 -46.44 1 11 -1 161 442.451 6
Mid Mid (pH 6-8) 1.51 0.87 -17.22 2 11 0 159 443.459 6
Mid Mid (pH 6-8) 1.51 1.89 -96.86 0 11 -2 164 441.443 6

Activity (Go SEA)

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