UCSF

ZINC20917264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 35 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) 4.41 12.24 -20.74 0 5 0 44 495.595 5
Lo Low (pH 4.5-6) 4.41 13.97 -64.37 1 5 1 45 496.603 5

Activity (Go SEA)

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