UCSF

ZINC32195557

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 4.06 7.07 -40.07 3 3 1 46 304.385 6
Hi High (pH 8-9.5) 4.06 5.99 -6.57 2 3 0 41 303.377 6

Activity (Go SEA)

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