UCSF

ZINC04548301

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 26 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) 3.29 6.27 -14.95 2 6 0 79 389.761 4
Hi High (pH 8-9.5) 3.11 4.51 -48.43 1 6 -1 85 388.753 4

Activity (Go SEA)

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