UCSF

ZINC34691532

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 30 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) 2.49 6.1 -13.98 1 6 0 62 424.557 11
Mid Mid (pH 6-8) 2.49 8.35 -45.35 2 6 1 63 425.565 11

Activity (Go SEA)

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