UCSF

ZINC36150638

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 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) 2.32 6.84 -9.32 0 6 0 65 333.384 8
Mid Mid (pH 6-8) 2.32 9.1 -41.66 1 6 1 66 334.392 8

Activity (Go SEA)

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