UCSF

ZINC35852122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 30 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) 3.93 12.98 -48.24 2 5 1 50 405.497 5
Lo Low (pH 4.5-6) 3.93 13.29 -105.26 3 5 2 51 406.505 5

Activity (Go SEA)

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