UCSF

ZINC03353663

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 16 No

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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) 2.08 4.08 -15.8 2 3 0 56 250.348 2
Ref Reference (pH 7) 1.57 5.14 -7.29 2 3 0 57 250.348 2
Mid Mid (pH 6-8) 2.08 4.12 -39.39 1 3 -1 53 249.34 2

Activity (Go SEA)

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