UCSF

ZINC28226605

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 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) 4.74 7.95 -45.07 0 4 -1 61 384.289 4
Mid Mid (pH 6-8) 4.74 7.58 -11.18 1 4 0 59 385.297 4

Activity (Go SEA)

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