UCSF

ZINC36139787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 42 No

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) 7.93 15.79 -51.5 0 7 -1 115 585.746 11
Mid Mid (pH 6-8) 7.93 15.79 -17.69 1 7 0 113 586.754 11

Activity (Go SEA)

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