UCSF

ZINC25497321

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 5.69 13.16 -13.02 2 5 0 67 385.467 6
Hi High (pH 8-9.5) 6.15 11.53 -54.32 1 5 -1 70 384.459 6

Activity (Go SEA)

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