UCSF

ZINC39548150

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 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) 2.67 7.24 -23.73 1 6 0 79 427.501 6
Lo Low (pH 4.5-6) 2.67 7.6 -44.51 2 6 1 81 428.509 6

Activity (Go SEA)

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