UCSF

ZINC38434780

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 14 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) 0.44 0.1 -12.85 2 4 0 59 193.202 1
Mid Mid (pH 6-8) 0.51 -3.19 -7.68 2 4 0 62 193.202 1

Activity (Go SEA)

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