UCSF

ZINC37506708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 20 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) 3.99 9.99 -112.19 3 2 2 21 337.305 3
Hi High (pH 8-9.5) 3.99 7.55 -40.93 2 2 1 20 336.297 3
Mid Mid (pH 6-8) 3.99 9.27 -33.07 2 2 1 16 336.297 3

Activity (Go SEA)

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