UCSF

ZINC25337371

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 23 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) 1.12 8.56 -107.04 2 5 2 48 311.433 3
Hi High (pH 8-9.5) 1.12 5.86 -9.1 0 5 0 45 309.417 3

Activity (Go SEA)

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