UCSF

ZINC35981049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 31 Yes

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) 2.79 6.35 -14.15 0 6 0 53 439.478 3
Mid Mid (pH 6-8) 2.79 8.7 -65.09 1 6 1 54 440.486 3

Activity (Go SEA)

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