UCSF

ZINC31946232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 1.43 7.55 -70.6 2 6 1 76 329.376 4
Mid Mid (pH 6-8) 1.43 6.18 -23.67 1 6 0 72 328.368 4

Activity (Go SEA)

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