UCSF

ZINC32100651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 17 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) 0.96 3.7 -45.53 3 4 1 57 243.371 5
Hi High (pH 8-9.5) 0.96 2.21 -8.93 2 4 0 53 242.363 5

Activity (Go SEA)

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