UCSF

ZINC40100115

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 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) 4.53 10.94 -61.08 0 6 -1 87 424.448 8
Lo Low (pH 4.5-6) 4.53 10.18 -19.41 1 6 0 84 425.456 8

Activity (Go SEA)

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