UCSF

ZINC36145478

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 2.10 6.04 -8.45 0 6 0 65 319.357 8
Mid Mid (pH 6-8) 2.10 8.69 -37.29 1 6 1 66 320.365 8

Activity (Go SEA)

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