UCSF

ZINC13093425

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2008 26 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) 1.80 5.1 -60.24 1 7 -1 107 377.373 4
Hi High (pH 8-9.5) 1.80 5.2 -112.88 0 7 -2 109 376.365 4

Activity (Go SEA)

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