UCSF

ZINC45074008

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 13 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) 1.87 4.2 -36.76 2 2 1 20 185.335 3
Hi High (pH 8-9.5) 1.87 4.51 -30.48 2 2 1 16 185.335 3
Mid Mid (pH 6-8) 1.87 5.85 -103.88 3 2 2 21 186.343 3

Activity (Go SEA)

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