UCSF

ZINC49089148

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 29 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) -2.50 3.31 -381.54 1 14 -4 226 470.16 8
Mid Mid (pH 6-8) -2.50 2.16 -243.45 2 14 -3 223 471.168 8

Activity (Go SEA)

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