UCSF

ZINC35014531

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.45 8.32 -43.85 3 3 1 38 311.449 8
Hi High (pH 8-9.5) 3.45 8.52 -39.08 3 3 1 38 311.449 8
Mid Mid (pH 6-8) 3.45 9.7 -128.93 4 3 2 42 312.457 8

Activity (Go SEA)

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