UCSF

ZINC45696740

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 0.88 3.7 -43.15 0 4 -1 53 200.258 3
Mid Mid (pH 6-8) 0.88 5.66 -42.14 1 4 0 54 201.266 3

Activity (Go SEA)

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