UCSF

ZINC19791767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 24 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) 5.00 7.93 -6.24 1 4 0 54 358.85 4
Mid Mid (pH 6-8) 5.46 6 -42.55 0 4 -1 58 357.842 4
Mid Mid (pH 6-8) 5.26 9.23 -35.25 0 4 -1 53 357.842 5

Activity (Go SEA)

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