UCSF

ZINC35471950

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 34 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) 4.25 11.55 -20.23 1 7 0 75 452.514 7
Lo Low (pH 4.5-6) 4.25 12.01 -53.23 2 7 1 76 453.522 7

Activity (Go SEA)

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