UCSF

ZINC32735872

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 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) 5.36 8.82 -49.35 3 2 1 37 343.249 4
Mid Mid (pH 6-8) 5.36 7.55 -5.68 2 2 0 32 342.241 4

Activity (Go SEA)

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