UCSF

ZINC32110625

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.03 2.18 -7.49 2 4 0 54 258.321 6
Lo Low (pH 4.5-6) 1.03 2.62 -37.96 3 4 1 56 259.329 6

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