UCSF

ZINC39856743

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.92 14.63 -19.1 1 4 0 51 430.573 7
Hi High (pH 8-9.5) 7.10 12.24 -49.07 0 4 -1 58 429.565 7

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