UCSF

ZINC36681642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 29 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) 2.30 5.1 -23.04 1 8 0 105 431.235 4
Hi High (pH 8-9.5) 2.37 2.95 -60.1 0 8 -1 112 430.227 4

Activity (Go SEA)

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