UCSF

ZINC20449239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 32 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) 2.26 8.31 -49.44 1 8 1 64 440.568 5
Mid Mid (pH 6-8) 2.26 8.34 -51.01 1 8 1 64 440.568 5
Mid Mid (pH 6-8) 2.26 6.08 -13.53 0 8 0 63 439.56 5

Activity (Go SEA)

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