UCSF

ZINC06581713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 20 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) 4.20 7.88 -6.19 0 3 0 31 267.328 6
Lo Low (pH 4.5-6) 4.20 8.23 -33.46 1 3 1 32 268.336 6

Activity (Go SEA)

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