UCSF

ZINC37051993

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) -1.47 4.1 -13.66 2 4 0 70 233.246 3
Mid Mid (pH 6-8) -1.47 4.4 -54.72 3 4 1 72 234.254 3

Activity (Go SEA)

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