UCSF

ZINC04252095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 28 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) 1.74 7.79 -20.15 3 7 0 93 395.488 6
Mid Mid (pH 6-8) 1.74 8.22 -49.02 4 7 1 95 396.496 6

Activity (Go SEA)

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