UCSF

ZINC13737104

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 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) 4.73 8.18 -7.68 1 4 0 36 343.515 4
Lo Low (pH 4.5-6) 4.73 10.33 -39.13 2 4 1 37 344.523 4

Activity (Go SEA)

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