UCSF

ZINC39750538

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 26 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 7.38 -14.51 0 7 0 63 375.498 6
Mid Mid (pH 6-8) 1.74 9.74 -50.65 1 7 1 65 376.506 6

Activity (Go SEA)

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