UCSF

ZINC39962797

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 2.77 7.53 -19.18 2 6 0 84 385.832 3
Hi High (pH 8-9.5) 2.84 7.01 -69.46 1 6 -1 90 384.824 3

Activity (Go SEA)

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