UCSF

ZINC18123568

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 32 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) 3.46 10.56 -11.53 0 5 0 49 422.532 4
Lo Low (pH 4.5-6) 3.46 13.05 -99.54 2 5 2 52 424.548 4

Activity (Go SEA)

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