UCSF

ZINC36634306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 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) 1.32 7.79 -15.4 0 7 0 80 361.452 5
Mid Mid (pH 6-8) 2.08 6.69 -47.02 0 7 -1 86 360.444 4

Activity (Go SEA)

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