UCSF

ZINC01842033

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 25 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) 5.02 10.12 -42.12 0 4 -1 49 366.853 3
Mid Mid (pH 6-8) 5.02 10.54 -18.61 1 4 0 47 367.861 3

Activity (Go SEA)

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