UCSF

ZINC19295542

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 25 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) 4.35 7.91 -14.21 1 5 0 60 421.247 3
Hi High (pH 8-9.5) 4.41 7.01 -39.01 0 5 -1 67 420.239 3

Activity (Go SEA)

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