UCSF

ZINC34686261

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 1.66 7.2 -20.14 0 9 0 81 495.576 8
Mid Mid (pH 6-8) 1.66 9.47 -65.75 1 9 1 82 496.584 8

Activity (Go SEA)

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