UCSF

ZINC39230485

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 27 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) 1.14 8.33 -42.51 2 6 1 72 360.441 5
Mid Mid (pH 6-8) 1.14 7.88 -12.37 1 6 0 71 359.433 5
Lo Low (pH 4.5-6) 1.14 8.79 -83.13 3 6 2 74 361.449 5

Activity (Go SEA)

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