UCSF

ZINC50032611

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 22 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) 3.47 9.68 -42.48 2 5 1 60 313.462 14
Hi High (pH 8-9.5) 3.47 7.63 -9.55 1 5 0 59 312.454 14

Activity (Go SEA)

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