UCSF

ZINC44724108

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 11 Yes

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) 0.77 2.09 -32.6 2 3 1 35 162.253 7
Hi High (pH 8-9.5) 0.77 0.81 -4.2 1 3 0 30 161.245 7

Activity (Go SEA)

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