UCSF

ZINC37052510

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 0.26 3.81 -13.8 3 5 0 75 340.221 4
Mid Mid (pH 6-8) 0.27 4.11 -49.16 4 5 1 77 341.229 4

Activity (Go SEA)

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