UCSF

ZINC06910063

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 27 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) 2.28 6.5 -52.98 2 7 1 70 373.429 8
Hi High (pH 8-9.5) 2.28 4.26 -15.36 1 7 0 69 372.421 8

Activity (Go SEA)

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