UCSF

ZINC32090264

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 1.24 5.58 -53.74 3 3 1 48 239.314 5
Mid Mid (pH 6-8) 1.24 5.19 -10.3 2 3 0 46 238.306 5

Activity (Go SEA)

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