UCSF

ZINC35086488

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 1.41 0.47 -39.72 6 5 1 100 268.381 7
Mid Mid (pH 6-8) 1.41 0.11 -10.88 5 5 0 98 267.373 7

Activity (Go SEA)

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