UCSF

ZINC44199135

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 12 No

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) 2.79 7.28 -47.56 0 2 -1 40 169.244 4
Lo Low (pH 4.5-6) 2.79 5.39 -4.88 1 2 0 37 170.252 4

Activity (Go SEA)

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