UCSF

ZINC60062705

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 37 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) 7.90 15.04 -12.16 2 5 0 61 534.487 7
Hi High (pH 8-9.5) 8.08 13.44 -55.05 1 5 -1 68 533.479 7
Hi High (pH 8-9.5) 8.08 13.46 -53.21 1 5 -1 68 533.479 7

Activity (Go SEA)

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