UCSF

ZINC45950165

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.32 6.34 -10.4 1 4 0 59 267.263 2
Mid Mid (pH 6-8) 2.77 4.48 -46.02 0 4 -1 62 266.255 2
Lo Low (pH 4.5-6) 2.32 6.8 -44.76 2 4 1 60 268.271 2

Activity (Go SEA)

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