UCSF

ZINC39305326

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 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) 3.31 4.63 -2.9 1 1 0 12 216.111 0
Lo Low (pH 4.5-6) 3.31 5.93 -41.99 2 1 1 17 217.119 0

Activity (Go SEA)

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