UCSF

ZINC32214472

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 No

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) 2.39 3.41 -13.29 3 5 0 81 310.35 6
Hi High (pH 8-9.5) 2.39 3.48 -42.33 2 5 -1 83 309.342 6

Activity (Go SEA)

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