UCSF

ZINC48607406

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 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) 4.11 7.45 -7.6 0 2 0 22 267.353 1
Lo Low (pH 4.5-6) 4.11 7.84 -25.25 1 2 1 23 268.361 1

Activity (Go SEA)

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