UCSF

ZINC22010927

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.53 9.04 -24.02 2 5 0 71 348.402 5
Hi High (pH 8-9.5) 4.53 9.4 -71.95 1 5 -1 74 347.394 5

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