UCSF

ZINC31959926

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 0.39 5.51 -95.84 5 6 2 87 327.45 7
Mid Mid (pH 6-8) 0.39 3.06 -53.97 4 6 1 86 326.442 7

Activity (Go SEA)

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