UCSF

ZINC06138812

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 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) 4.45 11.7 -13.83 2 8 0 94 418.501 6
Lo Low (pH 4.5-6) 4.62 11.96 -33.47 3 8 1 99 419.509 6

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