UCSF

ZINC48575100

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 17 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) 0.23 1.47 -39.15 4 5 1 77 242.343 7
Hi High (pH 8-9.5) 0.23 -0.43 -11.26 3 5 0 75 241.335 7

Activity (Go SEA)

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